Geometry & MOs

Info

ID:	280287
PubChem CID:	103848219
Reduced:	OSN2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	333.01645
ΔH_f, kcal/mol:	-2.32
Dipole, Da:	3.04
IP(EA), eV:	-9.02(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromo-4-methylphenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone

Drug info:

PubChemData

Smile

C[C@@H](CO)NCC1=CC2=C(C=CS2)N=C1

DOS

IR

Vibrations